Dissertation / PhD Thesis/Book

PreJuSER-37599

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Störstellenkomplexe in Halbleitern: Elektronenstruktur und Hyperfeineigenschaften

Höhler, H. (Corresponding author)FZJ*

2003
Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag Jülich

Please use a persistent id in citations: http://hdl.handle.net/2128/202

Report No.: Juel-4126

Abstract: In the present thesis ab initio electronic structure calculations in the framework of the density functional theory are presented for defect complexes in the semiconductors Si and Ge. We have used the Korringa-Kohn-Rostoker Greensfunction method, which we have generalised such that also large lattice relaxations can be treated. The electronic and the geometrical structure of such complexes are calculated, as well as nuclear quantities related to hyperfine interactions, as e.g. the electric field gradient (EFG), the isomer shift (IS) and the hyperfine field (HF). The aim is a comparison with experimental results; therefore defect complexes containing the probe atoms $^{111}$Cd or $^{119}$Sn are investigated. These nuclei are frequently used in perturbed angular correlation measurements and in M¨ossbauer-spectroscopy. We restricted ourselves to pair defects, consisting of the implanted probe atom and a single intrinsic defect.

Note: Record converted from VDB: 12.11.2012
Note: Aachen, Technische Hochsch., Diss., 2003

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Contributing Institute(s):

1. Theorie III (IFF-TH-III)

Research Program(s):

1. Kondensierte Materie (M02)

Appears in the scientific report 2003
Notes: Nachtrag

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Database coverage:

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